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Compound Detail

CHEMBL5438796

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O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(c2cnccn2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5438796
Phase Preclinical
Structure Type MOL
InChI Key QSUGNJQBUXYDSK-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

313.3
MW (Da)
1.35
ALogP
6
HBA
0
HBD
92.5
PSA (Ų)
0.63
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H15N5O3
MW 313.32
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -2.21

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
37156183 10.1016/j.ejmech.2023.115445 ADMET 2
37156183 10.1016/j.ejmech.2023.115445 Leishmania infantum 1
37156183 10.1016/j.ejmech.2023.115445 Leishmania braziliensis 1
37156183 10.1016/j.ejmech.2023.115445 THP-1 1
37156183 10.1016/j.ejmech.2023.115445 Trypanosoma cruzi 1

Data from ChEMBL 36 via Core Engine